U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hg2AsF6 by Materials Project
Abstract
Hg2AsF6 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two Hg2AsF6 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to one Hg2+ and two F1- atoms. The Hg–Hg bond length is 2.75 Å. There are one shorter (2.78 Å) and one longer (2.93 Å) Hg–F bond lengths. In the second Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to two Hg2+ and two F1- atoms. The Hg–Hg bond length is 2.69 Å. There are one shorter (2.98 Å) and one longer (3.07 Å) Hg–F bond lengths. As2+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.79 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Hg2+ and one As2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one As2+ atom. In the fourth F1- site,more »
- Publication Date:
- Other Number(s):
- mp-540925
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-F-Hg; Hg2AsF6; crystal structure
- OSTI Identifier:
- 1264869
- DOI:
- https://doi.org/10.17188/1264869
Citation Formats
Materials Data on Hg2AsF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264869.
Materials Data on Hg2AsF6 by Materials Project. United States. doi:https://doi.org/10.17188/1264869
2020.
"Materials Data on Hg2AsF6 by Materials Project". United States. doi:https://doi.org/10.17188/1264869. https://www.osti.gov/servlets/purl/1264869. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1264869,
title = {Materials Data on Hg2AsF6 by Materials Project},
abstractNote = {Hg2AsF6 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two Hg2AsF6 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to one Hg2+ and two F1- atoms. The Hg–Hg bond length is 2.75 Å. There are one shorter (2.78 Å) and one longer (2.93 Å) Hg–F bond lengths. In the second Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to two Hg2+ and two F1- atoms. The Hg–Hg bond length is 2.69 Å. There are one shorter (2.98 Å) and one longer (3.07 Å) Hg–F bond lengths. As2+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.79 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Hg2+ and one As2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one As2+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Hg2+ and one As2+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Hg2+ and one As2+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As2+ atom.},
doi = {10.17188/1264869},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}